SCHEMBL13791996

SCHEMBL13791996

O=C(OCc1cccc(COC(=O)c2ccc3ccccc3n2)n1)c1ccc2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.64
▸ KDM4E B2RXH2 5/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALDH1A1 P00352 7/20 0.58
▸ GAA P10253 3/20 0.58
▸ HPGD P15428 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ KMT2A Q03164 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ MGAM O43451 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CNR2 P34972 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8403275 0.83 MAPT (0.79) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL30253505 0.80 KDM4E (0.64) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL431290 0.80 KDM4E (0.64) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL24415719 0.77 KDM4E (0.61) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL9859312 0.77 CYSLTR1 (0.60) MAPTKDM4ESMN1; SMN2KMT2ACNR2
SCHEMBL3954441 0.77 MGAM (0.66) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL6955948 0.75 MGAM (0.63) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL5176927 0.75 MGAM (0.63) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL14062630 0.74 TDP1 (0.61) MAPTALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL4302912 0.74 MGAM (0.61) MAPTKDM4ESMN1; SMN2ALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541467-B2 N,N,N',N'-tetrakis(2-quinolylmethyl)ethylenediamine; reacting with Zinc ions; inhibition of photoinduced electron transfer (PET) Yano, Shigenobu (JP) 2009-06-02 — — US disclosed
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